2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine

C37H27N3 — CID 134218170

IUPAC2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c(c21)-c1ccccc1C3
InChIInChI=1S/C37H27N3/c1-37(2)30-20-12-11-19-28(30)32-29(22-26-21-25-17-9-10-18-27(25)31(26)33(32)37)36-39-34(23-13-5-3-6-14-23)38-35(40-36)24-15-7-4-8-16-24/h3-20,22H,21H2,1-2H3
InChIKeyWKQBMXFWGQEPRW-UHFFFAOYSA-N
MW513.64 g/mol
LogP8.75
Rot. Bonds3

About 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine

2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 134218170) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID134218170
Molecular FormulaC37H27N3
Molecular Weight513.64 g/mol
Exact Mass513.22
IUPAC Name2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c(c21)-c1ccccc1C3
InChIInChI=1S/C37H27N3/c1-37(2)30-20-12-11-19-28(30)32-29(22-26-21-25-17-9-10-18-27(25)31(26)33(32)37)36-39-34(23-13-5-3-6-14-23)38-35(40-36)24-15-7-4-8-16-24/h3-20,22H,21H2,1-2H3
InChIKeyWKQBMXFWGQEPRW-UHFFFAOYSA-N
XLogP8.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-(3,3-dimethyl-11-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,16,18,20-nonaenyl)-6-phenyl-1,3,5-triazine
CID 134218171
2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 134218216
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-[4-(9H-fluoren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154951427
2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 134218172
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-(15,15-dimethyl-5-pentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaenyl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 166995663
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 138646355
2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene
CID 144558249
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine (CID 134218170) is 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c(c21)-c1ccccc1C3.
What is the InChIKey of 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WKQBMXFWGQEPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3/c1-37(2)30-20-12-11-19-28(30)32-29(22-26-21-25-17-9-10-18-27(25)31(26)33(32)37)36-39-34(23-13-5-3-6-14-23)38-35(40-36)24-15-7-4-8-16-24/h3-20,22H,21H2,1-2H3.
What are the key properties of 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine?
2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 513.64 g/mol, XLogP of 8.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134218170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).